N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

C25H23FN2O2S — CID 46565714

IUPACN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C2CC2)cc1
InChIInChI=1S/C25H23FN2O2S/c26-19-7-5-17(6-8-19)22-13-14-23(31-22)25(30)28(21-11-12-21)15-16-1-3-18(4-2-16)24(29)27-20-9-10-20/h1-8,13-14,20-21H,9-12,15H2,(H,27,29)
InChIKeyUKBXGKLYEVTYGE-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.25
Rot. Bonds7

About N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 46565714) has the molecular formula C25H23FN2O2S and a molecular weight of 434.54 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID46565714
Molecular FormulaC25H23FN2O2S
Molecular Weight434.54 g/mol
Exact Mass434.15
IUPAC NameN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C2CC2)cc1
InChIInChI=1S/C25H23FN2O2S/c26-19-7-5-17(6-8-19)22-13-14-23(31-22)25(30)28(21-11-12-21)15-16-1-3-18(4-2-16)24(29)27-20-9-10-20/h1-8,13-14,20-21H,9-12,15H2,(H,27,29)
InChIKeyUKBXGKLYEVTYGE-UHFFFAOYSA-N
XLogP5.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33353552
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
CID 34178957
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide
CID 78814368
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]methyl]benzamide
CID 33339728
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
CID 33344663
N-benzyl-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117090387
5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 18164963
5-bromo-N-[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55828704
N-cyclopropyl-5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33351813
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide
CID 33341415

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (CID 46565714) is N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is O=C(NC1CC1)c1ccc(CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is UKBXGKLYEVTYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2S/c26-19-7-5-17(6-8-19)22-13-14-23(31-22)25(30)28(21-11-12-21)15-16-1-3-18(4-2-16)24(29)27-20-9-10-20/h1-8,13-14,20-21H,9-12,15H2,(H,27,29).
What are the key properties of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 46565714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).